4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline

C19H18ClN3O2S — CID 1241326

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-15-6-7-17-18(14-15)21-9-8-19(17)22-10-12-23(13-11-22)26(24,25)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKeyQJRPMZWTWYPYKW-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.40
Rot. Bonds3

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline

4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline (PubChem CID 1241326) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline
PubChem CID1241326
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-15-6-7-17-18(14-15)21-9-8-19(17)22-10-12-23(13-11-22)26(24,25)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKeyQJRPMZWTWYPYKW-UHFFFAOYSA-N
XLogP3.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline (CID 1241326) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline is O=S(=O)(c1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline?
The InChIKey is QJRPMZWTWYPYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-15-6-7-17-18(14-15)21-9-8-19(17)22-10-12-23(13-11-22)26(24,25)16-4-2-1-3-5-16/h1-9,14H,10-13H2.
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline?
4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline has a molecular weight of 387.89 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline is sourced from PubChem (CID 1241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).